CID 137964216

3-(3-methyl-3h-diazirin-3-yl)piperidine hydrochloride

Structural Information

Molecular Formula
C7H13N3
SMILES
CC1(N=N1)C2CCCNC2
InChI
InChI=1S/C7H13N3/c1-7(9-10-7)6-3-2-4-8-5-6/h6,8H,2-5H2,1H3
InChIKey
SPYCHZPFHOOCBX-UHFFFAOYSA-N
Compound name
3-(3-methyldiazirin-3-yl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

139.11095 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.11823 140.7
[M+Na]+ 162.10017 149.3
[M-H]- 138.10367 142.4
[M+NH4]+ 157.14477 154.4
[M+K]+ 178.07411 146.7
[M+H-H2O]+ 122.10821 132.8
[M+HCOO]- 184.10915 158.0
[M+CH3COO]- 198.12480 151.9
[M+Na-2H]- 160.08562 147.8
[M]+ 139.11040 138.0
[M]- 139.11150 138.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.